Raman Spectroscopy Studies of Nanocrystalline Lead Zirconate Titanate as Functions of Particle Size and Pressure

The Raman studies of lead zirconate titanate with varied grain size from 27.5 nm to 983 nm were performed under pressure up to 32 GPa to elucidate the scenario of phase transition pressures of lead zirconate titanate, which lies in the morphotropic phase boundary. The coexistence of ferroelectric rhombohedral and tetragonal phases at ambient condition changed to the coexistence of tetragonal and cubic phases at intermediate pressure and finally, transited to paraelectric cubic phase at elevated pressure. The pressure evolution of Raman spectra results indicated that the phase transition pressure increased with the reduction of the particle size.     

联吡啶四唑铜(II)配合物的原位合成、结构及性质

采用水热合成法,通过配体5,5'-二氰基-3,3'-联吡啶和叠氮化钠在路易斯酸CuSO₄的作用下,得到了一种新型的金属有机铜四唑配合物。 X射线单晶衍射结构表明,该化合物属于四方晶系,P4/ncc空间群。它是由吡啶环中的N原子连接形成的无限延展的二维网状结构;硫酸根阴离子位于中心金属周围,且高度无序的硫酸根离子很有可能在低温下变成有序,从而引起结构相变。该化合物的堆积图形状类似一个蝴蝶发卡。 其高含氮结构可作为潜在的高含能材料。     

The reassessment of the structural transition regions along the liquidus of Fe–Si alloys and a possible liquid–liquid structural transition in FeSi2 alloy

We reassessed the structural transition regions along the liquidus of Fe–Si alloys by using ab initio molecular dynamics simulation. Except for 50 at.% Si, structural transition compositions are found at both 30 at.% Si and 67 at.% Si (FeSi₂) which are eutectic alloys. We demonstrated that the liquid structure in the sub-region of 0～30 at.% Si is close-packed, and in the sub-region of 67～100 at.% Si liquid alloys have very open structure. From 30 at.% Si to 67 at.% Si, the close-packed structure gradually change into open one. These structure transition sub-regions are also supported by the formation enthalpy of liquid alloys. Furthermore, the predicted enthalpy change between 1585 K and 1873 K is so large that there is probably liquid–liquid transition with temperature at FeSi₂ alloy which is an important thermoelectric material. Discussions have been made on the materials phenomenon of several Fe–Si alloys based on the structural information.     

An elastic-plastic contact model for line contact structures

Although numerical simulation tools are now very powerful,the development of analytical models is very important for the prediction of the mechanical behaviour of line contact structures for deeply understanding contact problems and engineering applications.For the line contact structures widely used in the engineering field,few analytical models are available for predicting the mechanical behaviour when the structures deform plastically,as the classic Hertz’s theory would be invalid.Thus,the present study proposed an elastic-plastic model for line contact structures based on the understanding of the yield mechanism.A mathematical expression describing the global relationship between load history and contact width evolution of line contact structures was obtained.The proposed model was verified through an actual line contact test and a corresponding numerical simulation.The results confirmed that this model can be used to accurately predict the elastic-plastic mechanical behaviour of a line contact structure.     

DIGITAL SPECKLE CORRELATION METHOD IMPROVED BY GENETIC ALGORITHM

The digital speckle correlation method is an important optical metrology for surface displacement and strain measurement. With this technique, the whole field deformation information can be obtained by tracking the geometric points on the speckle images based on a correlation-matching search technique. However, general search techniques suffer from great computational complexity in the processing of speckle images with large deformation and the large random errors in the processing of images of bad quality. In this paper, an advanced approach based on genetic algorithms (GA) for correlation-matching search is developed. Benefiting from the abilities of global optimum and parallelism searching of GA, this new approach can complete the correlation-matching search with less computational consumption and at high accuracy. Two experimental results from the simulated speckle images have proved the efficiency of the new approach.     

分光光度测定铬的灵敏的新方法——铬(Ⅵ)-二溴苯基萤光酮-CPB显色体系的研究

详细研究了Cr(Ⅵ)-二溴苯基萤光酮-CPB的显色反应,发现Cr(Ⅵ)与二溴苯基萤光酮在CPB存在下,pH3.5-5.0时经50℃水浴加热10分钟能生成紫红色组成为1:3的络合物,其最大吸收波长位于586nm处,摩尔吸光系数为1.44×10⁵.Cr(Ⅵ)在0-2.5μg/10ml范围内遵循比尔定律.CyDTA的存在可以消除大量常见离子的干扰.拟定了钢样及水中络的测定方法,并经实际样品的测定,取得较为满意的结果.     

基于单颗粒黑碳光度计(SP2)方法的青藏高原冰芯黑碳记录研究

青藏高原冰川蕴含了丰富的历史环境变化信息。通过青藏高原冰芯钻取及环境指标分析,可在季节至万年时间尺度上重建高分辨率环境变化历史。黑碳气溶胶来源于生物和化石燃料燃烧排放,对光具有强烈的吸收作用,是气候环境变化的敏感因子之一。准确测量冰芯中的黑碳粒子浓度,是恢复其排放历史、评估其气候环境效应的必要手段。单颗粒黑碳光度计(Single Particle Soot Photometer, SP2)是近些年发展起来的用于雪冰样品中黑碳测量的主要方法之一,能够获得准确的黑碳浓度信息。近10年来,实验室开展了大量的冰芯黑碳样品测量,从野外冰芯钻取、样品前处理、仪器原理及测试、黑碳数据处理等全过程对SP2在青藏高原冰芯黑碳研究中的应用与问题进行了全面系统的阐述。同时,将SP2与热光学(Thermal-optical method)等测试方法进行对比,强调了SP2对冰芯黑碳样品研究的可靠性,并对未来黑碳研究的进一步发展作出了展望。     

显微云纹技术在微电子器件力学测量中的应用

电子工业的不断发展促进了电子器件的微小型化,作为新型产品设计基础的微电子器件可靠 性分析成为人们非常关注的问题. 力学参数的测量可以为可靠性评价提供有价值的实验依据. 概括总结了显微云纹技术的发展,主要介绍了云纹干涉法和扫描显微镜云纹方法及其在 微电子器件全场变形场测量中的应用.     

Learning from Knowledge Graphs: Neural Fine-Grained Entity Typing with Copy-Generation Networks

Fine-grained entity typing (FET) aims to identify the semantic type of an entity in a plain text, which is a significant task for downstream natural language processing applications. However, most existing methods neglect rich known typing information about these entities in knowledge graphs. To address this issue, we take advantage of knowledge graphs to improve fine-grained entity typing through the use of a copy mechanism. Specifically, we propose a novel deep neural model called CopyFet for FET via a copy-generation mechanism. CopyFet can integrate two operations: (i) the regular way of making type inference from the whole type set in the generation model; (ii) the new copy mechanism which can identify the semantic type of a mention with reference to the type-copying vocabulary from a knowledge graph in the copy model. Despite its simplicity, this mechanism proves to be powerful since extensive experiments show that CopyFet outperforms state-of-the-art methods in FET on two benchmark datasets (FIGER (GOLD) and BBN). For example, CopyFet achieves the new state-of-the-art score of 76.4% and 83.6% on the accuracy metric in FIGER (GOLD) and BBN, respectively.     

非计量Zn-Cr尖晶石中离子占位对催化合成气合成异丁醇中的关键作用

异丁醇是一种基本有机化工原料和燃料添加剂。从煤基或生物质合成气制异丁醇符合我国“贫油富煤”的能源结构,对于保障我国能源安全具有重要的现实意义。Zn-Cr基催化剂合成异丁醇具有寿命长、积碳少,产物分布简单的优点,被广泛应用于合成异丁醇研究。本文总结了近年来合成气合成异丁醇的进展,重点介绍本课题组近几年在异丁醇合成过程中发现的非计量Zn-Cr尖晶石中离子占位对催化合成气合成异丁醇中的关键作用。首先概述了异丁醇的催化剂体系、合成工艺以及生成机理,然后介绍了促进阳离子在尖晶石结构中混乱分布的策略,包括调节Zn/Cr比例、煅烧温度、制备方法以及负载碱金属等,同时介绍了两种常用的定量检测尖晶石结构离子占位的方法。本课题组首次发现异丁醇产率与离子分布混乱程度呈近似直线关系,是因为离子占位强烈影响催化剂的物化性质。最后展望了异丁醇合成过程中的机遇和挑战,期望此文对能源化工、材料科学等相关学科的学者有一定的参考和启示作用。